N-[(4-methylphenyl)methyl]-9-(phenylmethyl)-2-[4-(phenylsulfonyl)piperazin-1-yl]purin-6-amine

Systemtic Name: N-[(4-methylphenyl)methyl]-9-(phenylmethyl)-2-[4-(phenylsulfonyl)piperazin-1-yl]purin-6-amine Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-9-benzyl-N-(p-tolylmethyl)purin-6-amine CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]-N-[(4-methylphenyl)methyl]-9-(phenylmethyl)-6-purinamine IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-9-benzyl-N-[(4-methylphenyl)methyl]purin-6-amine Traditional Name: [9-benzyl-2-(4-besylpiperazino)purin-6-yl]-(4-methylbenzyl)amine Formula: C30H31N7O2S MolecularWeight: 553.67784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC(=NC3=C2N=CN3CC4=CC=CC=C4)N5CCN(CC5)S(=O)(=O)C6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC(=NC3=C2N=CN3CC4=CC=CC=C4)N5CCN(CC5)S(=O)(=O)C6=CC=CC=C6

InChI

InChI=1S/C30H31N7O2S/c1-23-12-14-24(15-13-23)20-31-28-27-29(36(22-32-27)21-25-8-4-2-5-9-25)34-30(33-28)35-16-18-37(19-17-35)40(38,39)26-10-6-3-7-11-26/h2-15,22H,16-21H2,1H3,(H,31,33,34)